2-pyrrolidin-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]thiazine 4,4-dioxide

C10H15N3O2S — CID 82664194

IUPAC2-pyrrolidin-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]thiazine 4,4-dioxide
SMILESO=S1(=O)CCCn2nc(C3CCNC3)cc21
InChIInChI=1S/C10H15N3O2S/c14-16(15)5-1-4-13-10(16)6-9(12-13)8-2-3-11-7-8/h6,8,11H,1-5,7H2
InChIKeyMXMAKKDLHLFDJO-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.14
Rot. Bonds1

About 2-pyrrolidin-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]thiazine 4,4-dioxide

2-pyrrolidin-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]thiazine 4,4-dioxide (PubChem CID 82664194) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]thiazine 4,4-dioxide.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]thiazine 4,4-dioxide
PubChem CID82664194
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name2-pyrrolidin-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]thiazine 4,4-dioxide
SMILESO=S1(=O)CCCn2nc(C3CCNC3)cc21
InChIInChI=1S/C10H15N3O2S/c14-16(15)5-1-4-13-10(16)6-9(12-13)8-2-3-11-7-8/h6,8,11H,1-5,7H2
InChIKeyMXMAKKDLHLFDJO-UHFFFAOYSA-N
XLogP0.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]thiazine 4,4-dioxide?
The IUPAC name of 2-pyrrolidin-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]thiazine 4,4-dioxide (CID 82664194) is 2-pyrrolidin-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]thiazine 4,4-dioxide.
What is the SMILES notation for 2-pyrrolidin-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]thiazine 4,4-dioxide?
The canonical SMILES for 2-pyrrolidin-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]thiazine 4,4-dioxide is O=S1(=O)CCCn2nc(C3CCNC3)cc21.
What is the InChIKey of 2-pyrrolidin-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]thiazine 4,4-dioxide?
The InChIKey is MXMAKKDLHLFDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c14-16(15)5-1-4-13-10(16)6-9(12-13)8-2-3-11-7-8/h6,8,11H,1-5,7H2.
What are the key properties of 2-pyrrolidin-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]thiazine 4,4-dioxide?
2-pyrrolidin-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]thiazine 4,4-dioxide has a molecular weight of 241.32 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]thiazine 4,4-dioxide is sourced from PubChem (CID 82664194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).